SCHEMBL2632711

SCHEMBL2632711

COC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.58
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CAPN1 P07384 1/20 0.51
MME P08473 1/20 0.49
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
REN P00797 3/20 0.47
AAK1 Q2M2I8 1/20 0.46
BIRC2 Q13490 1/20 0.45
PSEN1 P49768 2/20 0.43
PSEN2 P49810 2/20 0.43
APH1B Q8WW43 2/20 0.43
NCSTN Q92542 2/20 0.43
APH1A Q96BI3 2/20 0.43
PSENEN Q9NZ42 2/20 0.43
CA1 P00915 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23080082 0.94 CTSL (0.54) CTSLCTSBCTSSCTSKGAA
SCHEMBL16668218 0.94 CTSL (0.54) CTSLCTSBCTSSCTSKGAA
SCHEMBL1026997 0.93 CTSL (0.62) CTSLCTSBCTSSCTSKGAA
SCHEMBL1026994 0.93 CTSL (0.62) CTSLCTSBCTSSCTSKGAA
SCHEMBL1176795 0.93 CTSL (0.62) CTSLCTSBCTSSCTSKGAA
SCHEMBL4576576 0.88 CTSL (0.56) CTSLCTSBCTSSCTSKGAA
SCHEMBL17640586 0.88 CTSL (0.56) CTSLCTSBCTSSCTSKGAA
SCHEMBL26818450 0.88 CTSL (0.56) CTSLCTSBCTSSCTSKGAA
SCHEMBL24130602 0.88 CTSL (0.60) CTSLCTSBCTSSCTSKGAA
SCHEMBL28948914 0.88 CTSL (0.56) CTSLCTSBCTSSCTSKGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 CTSL 174/4885CTSB 72/4885CTSS 107/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CTSL 187/4885CTSB 30/4885CTSS 65/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 CTSL 187/4885CTSB 30/4885CTSS 65/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.